4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

C20H19FN6 — CID 155530575

IUPAC4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccc2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nn2c1
InChIInChI=1S/C20H19FN6/c1-26(2)11-13-3-8-17-18(16-9-10-23-20(22)24-16)19(25-27(17)12-13)14-4-6-15(21)7-5-14/h3-10,12H,11H2,1-2H3,(H2,22,23,24)
InChIKeyBEZGJHQKNMNRMH-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.24
Rot. Bonds4

About 4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 155530575) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID155530575
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)Cc1ccc2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nn2c1
InChIInChI=1S/C20H19FN6/c1-26(2)11-13-3-8-17-18(16-9-10-23-20(22)24-16)19(25-27(17)12-13)14-4-6-15(21)7-5-14/h3-10,12H,11H2,1-2H3,(H2,22,23,24)
InChIKeyBEZGJHQKNMNRMH-UHFFFAOYSA-N
XLogP3.24
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine (CID 155530575) is 4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)Cc1ccc2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nn2c1.
What is the InChIKey of 4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is BEZGJHQKNMNRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-26(2)11-13-3-8-17-18(16-9-10-23-20(22)24-16)19(25-27(17)12-13)14-4-6-15(21)7-5-14/h3-10,12H,11H2,1-2H3,(H2,22,23,24).
What are the key properties of 4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 362.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(dimethylamino)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 155530575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).